azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane

C84H95BrCuIN26Si3 — CID 159854478

About azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane

azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane (PubChem CID 159854478) has the molecular formula C84H95BrCuIN26Si3 and a molecular weight of 1823.48 g/mol. Its IUPAC name is azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane.

Molecular Properties

• Compound Name: azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane
• PubChem CID: 159854478
• Molecular Formula: C84H95BrCuIN26Si3
• Molecular Weight: 1823.48 g/mol
• Exact Mass: 1820.51
• IUPAC Name: azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane
• SMILES: C.C#C[Si](C)(C)C.CCc1cc(-c2c[nH]c3ncc(-c4cn(Cc5ccccc5)nn4)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(Br)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(C#C[Si](C)(C)C)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(C#C[Si](C)(C)C)cc23)nc(N)n1.[Cu]I.[N-]=[N+]=NCc1ccccc1
• InChI: InChI=1S/C22H20N8.2C18H21N5Si.C13H12BrN5.C7H7N3.C5H10Si.CH4.Cu.HI/c1-2-16-9-19(27-22(23)26-16)18-11-25-21-17(18)8-15(10-24-21)20-13-30(29-28-20)12-14-6-4-3-5-7-14;2*1-5-13-9-16(23-18(19)22-13)15-11-21-17-14(15)8-12(10-20-17)6-7-24(2,3)4;1-2-8-4-11(19-13(15)18-8)10-6-17-12-9(10)3-7(14)5-16-12;8-10-9-6-7-4-2-1-3-5-7;1-5-6(2,3)4;;;/h3-11,13H,2,12H2,1H3,(H,24,25)(H2,23,26,27);2*8-11H,5H2,1-4H3,(H,20,21)(H2,19,22,23);3-6H,2H2,1H3,(H,16,17)(H2,15,18,19);1-5H,6H2;1H,2-4H3;1H4;;1H/q;;;;;;;+1;/p-1
• InChIKey: NQISRZDHGTXACT-UHFFFAOYSA-M
• XLogP: 18.70
• TPSA: 401.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1823.48
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane?

The IUPAC name of azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane (CID 159854478) is azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane.

What is the SMILES notation for azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane?

The canonical SMILES for azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane is C.C#C[Si](C)(C)C.CCc1cc(-c2c[nH]c3ncc(-c4cn(Cc5ccccc5)nn4)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(Br)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(C#C[Si](C)(C)C)cc23)nc(N)n1.CCc1cc(-c2c[nH]c3ncc(C#C[Si](C)(C)C)cc23)nc(N)n1.[Cu]I.[N-]=[N+]=NCc1ccccc1.

What is the InChIKey of azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane?

The InChIKey is NQISRZDHGTXACT-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20N8.2C18H21N5Si.C13H12BrN5.C7H7N3.C5H10Si.CH4.Cu.HI/c1-2-16-9-19(27-22(23)26-16)18-11-25-21-17(18)8-15(10-24-21)20-13-30(29-28-20)12-14-6-4-3-5-7-14;2*1-5-13-9-16(23-18(19)22-13)15-11-21-17-14(15)8-12(10-20-17)6-7-24(2,3)4;1-2-8-4-11(19-13(15)18-8)10-6-17-12-9(10)3-7(14)5-16-12;8-10-9-6-7-4-2-1-3-5-7;1-5-6(2,3)4;;;/h3-11,13H,2,12H2,1H3,(H,24,25)(H2,23,26,27);2*8-11H,5H2,1-4H3,(H,20,21)(H2,19,22,23);3-6H,2H2,1H3,(H,16,17)(H2,15,18,19);1-5H,6H2;1H,2-4H3;1H4;;1H/q;;;;;;;+1;/p-1.

What are the key properties of azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane?

azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane has a molecular weight of 1823.48 g/mol, XLogP of 18.70, 13 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for azidomethylbenzene;4-[5-(1-benzyltriazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-ethylpyrimidin-2-amine;4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-ethylpyrimidin-2-amine;bis(4-ethyl-6-[5-(2-trimethylsilylethynyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine);ethynyl(trimethyl)silane;iodocopper;methane is sourced from PubChem (CID 159854478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).